SCHEMBL19398295

SCHEMBL19398295

Cc1cc(-n2cnnn2)ccc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
NOTUM Q6P988 7/20 0.50
F2 P00734 1/20 0.46
KCNJ1 P48048 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19398293 0.83 NOTUM (0.52) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL17725782 0.81 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL19398291 0.80 KMT2A (0.55) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL14200097 0.79 NOTUM (0.73) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL10463551 0.77 ALDH1A1 (0.57) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL1577735 0.77 MAPT (0.58) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL15872005 0.77 NOTUM (0.72) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL2054614 0.74 NOTUM (0.58) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL14243215 0.73 NOTUM (0.72) ALDH1A1MAPTLMNAHTTNOTUM
SCHEMBL27992579 0.73 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTNOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1722/4885MAPT 4195/4885LMNA 1415/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.